1,3,6-Trinitropyrene

Base Information

• Chemical Name: 1,3,6-Trinitropyrene
• CAS No.: 75321-19-6
• Molecular Formula: C16H7 N3 O6
• Molecular Weight: 337.26
• European Community (EC) Number: 684-682-0
• UNII: 49M5YJ3MLV
• DSSTox Substance ID: DTXSID2075267
• Nikkaji Number: J66.510J
• Wikidata: Q82003270
• ChEMBL ID: CHEMBL164459
• Mol file: 75321-19-6.mol

Synonyms:1,3,6-trinitropyrene

Chemical Property of 1,3,6-Trinitropyrene

Chemical Property:

• Vapor Pressure: 5.08E-12mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 560.6°C at 760 mmHg
• Flash Point: 283.1°C
• PSA: 137.46000
• Density: 1.707g/cm³
• LogP: 5.87820
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 337.03348495
• Heavy Atom Count: 25
• Complexity: 596

Purity/Quality:

99% ^*data from raw suppliers

1,3,6-TRINITROPYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC4=C(C=CC1=C43)[N+](=O)[O-]